SCHEMBL6037702

SCHEMBL6037702

O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.53
MAPK8 P45983 9/20 0.53
MAPK14 Q16539 3/20 0.52
CNR1 P21554 1/20 0.50
PIP5K1B O14986 1/20 0.49
PIP5K1C O60331 1/20 0.49
PIK3CA P42336 1/20 0.49
PIP5K1A Q99755 1/20 0.49
AURKA O14965 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PLK4 O00444 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
ROS1 P08922 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
AXL P30530 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1518822 0.89 MAPK10 (0.54) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1518787 0.85 MAPK10 (0.60) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1518936 0.83 CNR1 (0.60) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1518745 0.83 PSEN1 (0.57) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1518723 0.83 CNR1 (0.69) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1519022 0.82 MAPK10 (0.60) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1518804 0.82 RAB9A (0.60) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL1519015 0.82 MAPK10 (0.51) MAPK10MAPK8MAPK14CNR1PIP5K1B
SCHEMBL6037740 0.82 KMT2A (0.62) MAPK10MAPK8CNR1AURKALCK
SCHEMBL1518909 0.80 MAPK10 (0.54) MAPK10MAPK8MAPK14CNR1PIP5K1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO claimed
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-20060223807-A1 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL, A MASSACHUSETTS CORPORATION (US) 2006-10-05 US disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885MAPK14 56/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885MAPK14 56/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 MAPK10 12/4885MAPK8 25/4885MAPK14 56/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.